REMARK  Name = BDB053719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.690   4.500   0.865  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -1.510   3.470   0.579  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.903   2.260   0.522  0.00  0.00    +0.153 A 
ATOM      4  C   LIG    1        0.449   2.033   0.747  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.677   0.640   0.608  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -0.553   0.025   0.382  0.00  0.00    +0.220 A 
ATOM      7  C   LIG    1        1.268   3.142   1.030  0.00  0.00    +0.017 A 
ATOM      8  N   LIG    1       -1.527   1.033   0.282  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.672   4.398   1.088  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.976  -0.003   0.721  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.598  -0.372  -0.465  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.154   0.026  -1.804  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.314   0.035  -2.816  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.033  -1.244  -2.929  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.985  -1.060  -3.244  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.062  -1.990  -1.659  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.833  -1.148  -0.393  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.506  -0.152   1.819  0.00  0.00    -0.270 OA
ENDBRANCH   5  10
BRANCH   8  19
ATOM     19  C   LIG    1       -2.925   0.851  -0.011  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.591  -0.337   0.325  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.949  -0.502   0.028  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.657   0.513  -0.606  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.011   1.698  -0.942  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.655   1.869  -0.646  0.00  0.00    +0.026 A 
ENDBRANCH   8  19
BRANCH   1  26
ATOM     25  C   LIG    1       -2.622   5.825   0.785  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1       -1.207   5.782   0.945  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  O   LIG    1       -0.905  -1.256   0.193  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.130  -2.310   0.618  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1        0.126  -2.537   1.983  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -0.422  -1.658   3.072  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        0.941  -3.621   2.344  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        1.430  -4.499   1.378  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        1.102  -4.312   0.038  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1        0.316  -3.221  -0.358  0.00  0.00    -0.008 A 
ATOM     35  C   LIG    1       -0.073  -3.106  -1.806  0.00  0.00    +0.047 C 
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 5